Geometry & MOs

Info

ID:	201226
PubChem CID:	79508813
Reduced:	BrClN4H6C8 (1)
Stoich.:	ABC4D6E8 (1)
Weight, g/mol:	248.082874
ΔH_f, kcal/mol:	90.39
Dipole, Da:	4.27
IP(EA), eV:	-9.02(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-methylphenyl)-5-cyclopropyltriazol-4-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)Cl)N2C=C(N=N2)N

DOS

IR

Vibrations